N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide

C25H21FN2O2 — CID 51367954

IUPACN-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C25H21FN2O2/c1-15-8-11-21(17(3)12-15)27-24(29)20-13-18-6-4-5-7-23(18)30-25(20)28-22-14-19(26)10-9-16(22)2/h4-14H,1-3H3,(H,27,29)/b28-25-
InChIKeyCUTKYVBEFODTES-FVDSYPCUSA-N
MW400.45 g/mol
LogP5.98
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide

N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide (PubChem CID 51367954) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide
PubChem CID51367954
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC NameN-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C25H21FN2O2/c1-15-8-11-21(17(3)12-15)27-24(29)20-13-18-6-4-5-7-23(18)30-25(20)28-22-14-19(26)10-9-16(22)2/h4-14H,1-3H3,(H,27,29)/b28-25-
InChIKeyCUTKYVBEFODTES-FVDSYPCUSA-N
XLogP5.98
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-fluorophenyl)iminochromene-3-carboxamide
CID 51367934
N-(2,4-dimethylphenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370469
2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide
CID 51367964
ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate
CID 51367933
2-(2-chlorophenyl)imino-N-(2-methylphenyl)chromene-3-carboxamide
CID 51367890
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
2-(2-fluoro-4-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367852
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2135340
2-(2,5-difluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367726
2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367687
N-(4-chlorophenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370435
N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 51367871

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide (CID 51367954) is N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is CUTKYVBEFODTES-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-15-8-11-21(17(3)12-15)27-24(29)20-13-18-6-4-5-7-23(18)30-25(20)28-22-14-19(26)10-9-16(22)2/h4-14H,1-3H3,(H,27,29)/b28-25-.
What are the key properties of N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide?
N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 51367954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).